ABSTRACT

The solubility of naphthalene in binary mixtures of 2,2,4-trimethylpentane + C1-C4 alcohols was determined at 298.15 K. The solubility increased with the addition of the alcohols to 2,2,4-trimethylpentane, reached the maximum values, and then decreased with further increase of alcohol concentrations. Results of these measurements were used to evaluate the prediction capability of a previously developed QSPR models employing the solubility data in monosolvents, and the overall mean deviation (OMD) of the models was varied between (6.0 and 19.1) %. Using ab initio prediction methods, the OMDs varied between (27.6 and 30.6) %.

Compounds

#	Formula	Name
1	C10H8	naphthalene
2	C8H18	2,2,4-trimethylpentane
3	C4H10O	butan-1-ol
4	C3H8O	propan-1-ol
5	C2H6O	ethanol
6	CH4O	methanol
7	C3H8O	propan-2-ol

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Constraint	Phase	Method	#Points
POMD	1 2	Amount concentration (molarity), mol/dm3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 1	SPECTR	1
POMD	6 1	Amount concentration (molarity), mol/dm3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 1	SPECTR	1
POMD	5 1	Amount concentration (molarity), mol/dm3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 1	SPECTR	1
POMD	4 1	Amount concentration (molarity), mol/dm3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 1	SPECTR	1
POMD	7 1	Amount concentration (molarity), mol/dm3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 1	SPECTR	1
POMD	3 1	Amount concentration (molarity), mol/dm3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 1	SPECTR	1
POMD	6 1 2	Amount concentration (molarity), mol/dm3 - 1 ; Liquid	Solvent: Mole fraction - 2; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid Crystal - 1	SPECTR	11
POMD	5 1 2	Amount concentration (molarity), mol/dm3 - 1 ; Liquid	Solvent: Mole fraction - 2; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid Crystal - 1	SPECTR	11
POMD	4 1 2	Amount concentration (molarity), mol/dm3 - 1 ; Liquid	Solvent: Mole fraction - 2; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid Crystal - 1	SPECTR	11
POMD	7 1 2	Amount concentration (molarity), mol/dm3 - 1 ; Liquid	Solvent: Mole fraction - 2; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid Crystal - 1	SPECTR	11
POMD	3 1 2	Amount concentration (molarity), mol/dm3 - 1 ; Liquid	Solvent: Mole fraction - 2; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid Crystal - 1	SPECTR	11

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Naphthalene Solubility in Binary Solvent Mixtures of 2,2,4-Trimethylpentane + Alcohols at 298.15 K

Shayanfar, A.[Ali], Soltani, S.[Somaieh], Jabbaribar, F.[Farnaz], Hamidi, A. A.[Ali A.], Acree, Jr., W. E.[William E.], Jouyban, A.[Abolghasem]

ABSTRACT